General Information of the Compound
| Compound ID |
CP0576645
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| Compound Name |
N-[3-[2-[4-[4-[10-[[2-(1-adamantyl)acetyl]amino]decyl]piperazin-1-yl]-2-methoxyanilino]-5-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C50H66N8O4
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| Molecular Weight |
843.13
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| Canonical SMILES |
COc1cc(ccc1Nc1ncc2c(C)cc(=O)n(-c3cccc(NC(=O)C=C)c3)c2n1)N1CCN(CCCCCCCCCCNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1
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| InChI |
InChI=1S/C50H66N8O4/c1-4-45(59)53-39-14-13-15-41(28-39)58-47(61)24-35(2)42-34-52-49(55-48(42)58)54-43-17-16-40(29-44(43)62-3)57-22-20-56(21-23-57)19-12-10-8-6-5-7-9-11-18-51-46(60)33-50-30-36-25-37(31-50)27-38(26-36)32-50/h4,13-17,24,28-29,34,36-38H,1,5-12,18-23,25-27,30-33H2,2-3H3,(H,51,60)(H,53,59)(H,52,54,55)
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| InChIKey |
UFGWXRRDUURBNN-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00845, RAC-alpha serine/threonine-protein kinase
Protein ID: PT01131, RAC-beta serine/threonine-protein kinase
Protein ID: PT01022, RAC-gamma serine/threonine-protein kinase